1-morpholin-4-ylethane-1,2-diamine

C6H15N3O — CID 18354329

IUPAC1-morpholin-4-ylethane-1,2-diamine
SMILESNCC(N)N1CCOCC1
InChIInChI=1S/C6H15N3O/c7-5-6(8)9-1-3-10-4-2-9/h6H,1-5,7-8H2
InChIKeySZNOZZJSVRAGGS-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.44
Rot. Bonds2

About 1-morpholin-4-ylethane-1,2-diamine

1-morpholin-4-ylethane-1,2-diamine (PubChem CID 18354329) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-morpholin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-morpholin-4-ylethane-1,2-diamine
PubChem CID18354329
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-morpholin-4-ylethane-1,2-diamine
SMILESNCC(N)N1CCOCC1
InChIInChI=1S/C6H15N3O/c7-5-6(8)9-1-3-10-4-2-9/h6H,1-5,7-8H2
InChIKeySZNOZZJSVRAGGS-UHFFFAOYSA-N
XLogP-1.44
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylethane-1,2-diamine?
The IUPAC name of 1-morpholin-4-ylethane-1,2-diamine (CID 18354329) is 1-morpholin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-morpholin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-morpholin-4-ylethane-1,2-diamine is NCC(N)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylethane-1,2-diamine?
The InChIKey is SZNOZZJSVRAGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c7-5-6(8)9-1-3-10-4-2-9/h6H,1-5,7-8H2.
What are the key properties of 1-morpholin-4-ylethane-1,2-diamine?
1-morpholin-4-ylethane-1,2-diamine has a molecular weight of 145.21 g/mol, XLogP of -1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylethane-1,2-diamine is sourced from PubChem (CID 18354329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).